2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K898-0174 |
| Compound Name: | 2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 511.62 |
| Molecular Formula: | C23 H25 N7 O3 S2 |
| Smiles: | Cc1ccccc1N1C(c2c(C)n[nH]c2N=C1SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 0.9884 |
| logD: | -3.3534 |
| logSw: | -2.1562 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 127.384 |
| InChI Key: | DNGHKFJCAFBTNM-UHFFFAOYSA-N |